%0 Book
%T Computational perspectives on environmental applications of two-dimensional materials
%A Meshhal, Moyassar
%D 2023
%C Rostock
%C Universität Rostock
%G English
%F 1915682223
%O vorgelegt von Moyassar Meshhal
%O GutachterInnen: Oliver Kühn (Universität Rostock) ; Ashour Ahmed (Universität Rostock) ; Thomas Heine (Technische Universität Dresden)
%O Dissertation Universität Rostock 2024
%X This thesis explores 2D materials for environmental remediation through three case studies. First, water diffusion in graphene oxide layers, studied via xTB-based MD simulations, shows inter-layer H-bonded bridges slow diffusion, impacting membrane technology and selective separation. Second, polymers at the graphene/water interface reveal graphene's potential to adsorb nanoplastics, opening avenues for further research. Third, DFT calculations show antimonene can capture toxic TCDD molecules, enhanced by dopants. These studies advance 2D materials' applications in environmental remediation.<eng>
%L 530
%9 theses
%9 Text
%9 Hochschulschrift
%R 10.18453/rosdok_id00004724
%U https://purl.uni-rostock.de/rosdok/id00004724
%U https://nbn-resolving.org/urn:nbn:de:gbv:28-rosdok_id00004724-9
%U https://d-nb.info/135515054X/34
%U https://doi.org/10.18453/rosdok_id00004724